(4-bromanyl-2,6-dimethyl-phenyl)-[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]azanium

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl)-[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]azanium Openeye Name: (4-bromo-2,6-dimethyl-phenyl)-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]ammonium CAS Name: (4-bromo-2,6-dimethylphenyl)-[(2S)-1-oxo-1-(1-piperidinyl)propan-2-yl]ammonium IUPAC Name: (4-bromo-2,6-dimethylphenyl)-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]azanium Traditional Name: (4-bromo-2,6-dimethyl-phenyl)-[(1S)-2-keto-1-methyl-2-piperidino-ethyl]ammonium Formula: C16H24BrN2O+ MolecularWeight: 340.27856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[NH2+]C(C)C(=O)N2CCCCC2)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1[NH2+][C@@H](C)C(=O)N2CCCCC2)C)Br

InChI

InChI=1S/C16H23BrN2O/c1-11-9-14(17)10-12(2)15(11)18-13(3)16(20)19-7-5-4-6-8-19/h9-10,13,18H,4-8H2,1-3H3/p+1/t13-/m0/s1